phenyl N-(2-hydroxy-4-methylpentyl)carbamate

C13H19NO3 — CID 113258696

IUPACphenyl N-(2-hydroxy-4-methylpentyl)carbamate
SMILESCC(C)CC(O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(2)8-11(15)9-14-13(16)17-12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,14,16)
InChIKeyVHOPBDMBNSLYMS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.18
Rot. Bonds5

About phenyl N-(2-hydroxy-4-methylpentyl)carbamate

phenyl N-(2-hydroxy-4-methylpentyl)carbamate (PubChem CID 113258696) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is phenyl N-(2-hydroxy-4-methylpentyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-hydroxy-4-methylpentyl)carbamate
PubChem CID113258696
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namephenyl N-(2-hydroxy-4-methylpentyl)carbamate
SMILESCC(C)CC(O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(2)8-11(15)9-14-13(16)17-12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,14,16)
InChIKeyVHOPBDMBNSLYMS-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-[(E,2S)-2-hydroxy-3-methyl-4-phenylbut-3-enyl]carbamate
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2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
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phenyl N-(2-cyclopropylpropyl)carbamate
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phenyl N-(2-aminobutyl)carbamate
CID 63732215
phenyl N-(2-oxopropyl)carbamate
CID 18713777
N-(2-hydroxy-4-methylpentyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822650
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CID 103819903
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
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phenyl N-(2-hydroxyethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-hydroxy-4-methylpentyl)carbamate?
The IUPAC name of phenyl N-(2-hydroxy-4-methylpentyl)carbamate (CID 113258696) is phenyl N-(2-hydroxy-4-methylpentyl)carbamate.
What is the SMILES notation for phenyl N-(2-hydroxy-4-methylpentyl)carbamate?
The canonical SMILES for phenyl N-(2-hydroxy-4-methylpentyl)carbamate is CC(C)CC(O)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-hydroxy-4-methylpentyl)carbamate?
The InChIKey is VHOPBDMBNSLYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)8-11(15)9-14-13(16)17-12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,14,16).
What are the key properties of phenyl N-(2-hydroxy-4-methylpentyl)carbamate?
phenyl N-(2-hydroxy-4-methylpentyl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-hydroxy-4-methylpentyl)carbamate is sourced from PubChem (CID 113258696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).